2-[[2-[[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[2-[[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-[[4-methyl-2-[[3-phenyl-2-[2-(tyrosylamino)propanoylamino]propanoyl]amino]pentanoyl]amino]propionic acid Formula: C30H41N5O7S MolecularWeight: 615.74084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CS)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CS)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C30H41N5O7S/c1-17(2)13-23(28(39)35-25(16-43)30(41)42)34-29(40)24(15-19-7-5-4-6-8-19)33-26(37)18(3)32-27(38)22(31)14-20-9-11-21(36)12-10-20/h4-12,17-18,22-25,36,43H,13-16,31H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)(H,35,39)(H,41,42)